Geometry & MOs

Info

ID:	280127
PubChem CID:	103847061
Reduced:	BrOSN4C11H13 (1)
Stoich.:	ABCD4E11F13 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	22.74
Dipole, Da:	1.06
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)NCCC2=CC=C(S2)Br)N

DOS

IR

Vibrations